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Biochemical simulations

Comparative Molecular Modeling Study of Arabidopsis NADPH-Dependent Thioredoxin Reductase and Its Hybrid Protein

Yuno Lee, Songmi Kim, [ ... ], Keun Woo Lee

The Leukemia-Associated Fusion Protein MN1-TEL Blocks TEL-Specific Recognition Sequences

W. Martijn ter Haar, Magda A. Meester-Smoor, [ ... ], Ellen C. Zwarthoff

Free Cholesterol Induces Higher β-Sheet Content in Aβ Peptide Oligomers by Aromatic Interaction with Phe19

Xiaolin Zhou, Jie Xu

Protein Stability and Dynamics Modulation: The Case of Human Frataxin

Ernesto A. Roman, Santiago E. Faraj, [ ... ], Javier Santos

The Unique Cysteine Knot Regulates the Pleotropic Hormone Leptin

Ellinor Haglund, Joanna I. Sułkowska, [ ... ], José N. Onuchic

Computational Study of Unfolding and Regulation Mechanism of preQ₁ Riboswitches

Zhou Gong, Yunjie Zhao, Changjun Chen, Yi Xiao

A Stochastic Model of DNA Fragments Rejoining

Yongfeng Li, Hong Qian, Ya Wang, Francis A. Cucinotta

Homology Modeling of Dopamine D₂ and D₃ Receptors: Molecular Dynamics Refinement and Docking Evaluation

Chiara Bianca Maria Platania, Salvatore Salomone, [ ... ], Claudio Bucolo

Exploring the Mechanism of Zanamivir Resistance in a Neuraminidase Mutant: A Molecular Dynamics Study

Nanyu Han, Xuewei Liu, Yuguang Mu

In Silico Identification of Potent Pancreatic Triacylglycerol Lipase Inhibitors from Traditional Chinese Medicine

Kuan-Yu Chen, Su-Sen Chang, Calvin Yu-Chian Chen

Computational Studies on the Substrate Interactions of Influenza A Virus PB2 Subunit

Ya-Jun Wang, Jing-Fang Wang, [ ... ], Pei Hao

Calcium Input Frequency, Duration and Amplitude Differentially Modulate the Relative Activation of Calcineurin and CaMKII

Lu Li, Melanie I. Stefan, Nicolas Le Novère

Initial Binding of Ions to the Interhelical Loops of Divalent Ion Transporter CorA: Replica Exchange Molecular Dynamics Simulation Study

Tong Zhang, Yuguang Mu

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